CAS RN: 647841-09-6
CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide
OPENEYE Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
MOLECULAR FORMULA: C23H26ClN7O3
MOLECULAR WEIGHT: 483.95064
SMILES: COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl
Structure:
CAS RN: 14502-43-3
CAS Name: 7-octyn-1-amine
OPENEYE Name: oct-7-yn-1-amine
IUPAC Name: oct-7-yn-1-amine
SYSTEMATIC NAME: oct-7-yn-1-amine
MOLECULAR FORMULA: C8H15N
MOLECULAR WEIGHT: 125.2114
SMILES: C#CCCCCCCN
Structure:
CAS RN: 205750-82-9
CAS Name: 2-fluoro-4-iodobenzoic acid ethyl ester
OPENEYE Name: ethyl 2-fluoro-4-iodo-benzoate
IUPAC Name: ethyl 2-fluoro-4-iodobenzoate
SYSTEMATIC NAME: ethyl 2-fluoranyl-4-iodanyl-benzoate
MOLECULAR FORMULA: C9H8FIO2
MOLECULAR WEIGHT: 294.061493
SMILES: CCOC(=O)C1=C(C=C(C=C1)I)F
Structure:
CAS RN: 113796-46-6
CAS Name: 1-chloro-5-ethyl-5-methylimidazolidine-2,4-dione
OPENEYE Name: 1-chloro-5-ethyl-5-methyl-imidazolidine-2,4-dione
IUPAC Name: 1-chloro-5-ethyl-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: 1-chloranyl-5-ethyl-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C6H9ClN2O2
MOLECULAR WEIGHT: 176.60086
SMILES: CCC1(C(=O)NC(=O)N1Cl)C
Structure:
CAS RN: 75804-28-3
CAS Name: 2,3-dimethylbutane-2,3-diamine dihydrochloride
OPENEYE Name: 2,3-dimethylbutane-2,3-diamine dihydrochloride
IUPAC Name: 2,3-dimethylbutane-2,3-diamine dihydrochloride
SYSTEMATIC NAME: 2,3-dimethylbutane-2,3-diamine dihydrochloride
MOLECULAR FORMULA: C6H18Cl2N2
MOLECULAR WEIGHT: 189.12652
SMILES: CC(C)(C(C)(C)N)N.Cl.Cl
Structure:
CAS RN: 106266-04-0
CAS Name: (2,4-difluorophenyl)-(4-piperidinyl)methanone hydrochloride
OPENEYE Name: (2,4-difluorophenyl)-(4-piperidyl)methanone hydrochloride
IUPAC Name: (2,4-difluorophenyl)-piperidin-4-ylmethanone hydrochloride
SYSTEMATIC NAME: [2,4-bis(fluoranyl)phenyl]-piperidin-4-yl-methanone hydrochloride
MOLECULAR FORMULA: C12H14ClF2NO
MOLECULAR WEIGHT: 261.695466
SMILES: C1CNCCC1C(=O)C2=C(C=C(C=C2)F)F.Cl
Structure:
CAS RN: 23121-99-5
CAS Name: N-(1-chlorobutan-2-yl)carbamic acid [3-(methoxycarbonylamino)phenyl] ester
OPENEYE Name: [3-(methoxycarbonylamino)phenyl] N-[1-(chloromethyl)propyl]carbamate
IUPAC Name: [3-(methoxycarbonylamino)phenyl] N-(1-chlorobutan-2-yl)carbamate
SYSTEMATIC NAME: [3-(methoxycarbonylamino)phenyl] N-(1-chloranylbutan-2-yl)carbamate
MOLECULAR FORMULA: C13H17ClN2O4
MOLECULAR WEIGHT: 300.73808
SMILES: CCC(CCl)NC(=O)OC1=CC=CC(=C1)NC(=O)OC
Structure:
CAS RN: 92971-15-8
CAS Name: 3,4-dinitrophthalic acid
OPENEYE Name: 3,4-dinitrophthalic acid
IUPAC Name: 3,4-dinitrophthalic acid
SYSTEMATIC NAME: 3,4-dinitrophthalic acid
MOLECULAR FORMULA: C8H4N2O8
MOLECULAR WEIGHT: 256.12596
SMILES: C1=CC(=C(C(=C1C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 12410-14-9
CAS Name: iron(3+) chloride sulfate
OPENEYE Name: ferric chloride sulfate
IUPAC Name: iron(3+) chloride sulfate
SYSTEMATIC NAME: iron(3+) chloride sulfate
MOLECULAR FORMULA: ClFeO4S
MOLECULAR WEIGHT: 187.3606
SMILES: [O-]S(=O)(=O)[O-].[Cl-].[Fe+3]
Structure:
CAS RN: 6860-10-2
CAS Name: calcium cyanate
OPENEYE Name: calcium cyanate
IUPAC Name: calcium cyanate
SYSTEMATIC NAME: calcium cyanate
MOLECULAR FORMULA: CCaNO+
MOLECULAR WEIGHT: 82.0948
SMILES: C(#N)[O-].[Ca+2]
Structure:
CAS RN: 771468-53-2
CAS Name: 2-(4-fluorophenyl)ethanesulfonic acid
OPENEYE Name: 2-(4-fluorophenyl)ethanesulfonic acid
IUPAC Name: 2-(4-fluorophenyl)ethanesulfonic acid
SYSTEMATIC NAME: 2-(4-fluorophenyl)ethanesulfonic acid
MOLECULAR FORMULA: C8H9FO3S
MOLECULAR WEIGHT: 204.218663
SMILES: C1=CC(=CC=C1CCS(=O)(=O)O)F
Structure:
CAS RN: 179251-57-1
CAS Name: 2-bromo-5-methoxybenzenesulfonyl chloride
OPENEYE Name: 2-bromo-5-methoxy-benzenesulfonyl chloride
IUPAC Name: 2-bromo-5-methoxybenzenesulfonyl chloride
SYSTEMATIC NAME: 2-bromanyl-5-methoxy-benzenesulfonyl chloride
MOLECULAR FORMULA: C7H6BrClO3S
MOLECULAR WEIGHT: 285.54274
SMILES: COC1=CC(=C(C=C1)Br)S(=O)(=O)Cl
Structure:
CAS RN: 440124-25-4
CAS Name: 3-bromo-5-chloro-2-pyrazinecarbonitrile
OPENEYE Name: 3-bromo-5-chloro-pyrazine-2-carbonitrile
IUPAC Name: 3-bromo-5-chloropyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-bromanyl-5-chloranyl-pyrazine-2-carbonitrile
MOLECULAR FORMULA: C5HBrClN3
MOLECULAR WEIGHT: 218.43854
SMILES: C1=C(N=C(C(=N1)C#N)Br)Cl
Structure:
CAS RN: 185-73-9
CAS Name: 2-oxa-6-thiaspiro[2.5]octane
OPENEYE Name: 2-oxa-6-thiaspiro[2.5]octane
IUPAC Name: 2-oxa-6-thiaspiro[2.5]octane
SYSTEMATIC NAME: 2-oxa-6-thiaspiro[2.5]octane
MOLECULAR FORMULA: C6H10OS
MOLECULAR WEIGHT: 130.208
SMILES: C1CSCCC12CO2
Structure:
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